ethyl 2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: ethyl 2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: ethyl 2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]propionic acid ethyl ester Formula: C12H19N3O2S MolecularWeight: 269.36316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SC(C)C(=O)OCC

Isomeric SMILES

CCC1=NN=C(N1CC=C)SC(C)C(=O)OCC

InChI

InChI=1S/C12H19N3O2S/c1-5-8-15-10(6-2)13-14-12(15)18-9(4)11(16)17-7-3/h5,9H,1,6-8H2,2-4H3